==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-FEB-11 3QPG . COMPND 2 MOLECULE: ASPARTATE TRANSAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.R.GRISWOLD . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 3 1 0 2 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 13 A M 0 0 190 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.4 -27.4 41.1 -33.5 2 14 A F > + 0 0 163 1,-0.1 3,-1.5 2,-0.1 0, 0.0 0.394 360.0 101.1-114.3 -1.1 -25.5 39.0 -30.9 3 15 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.786 88.8 43.1 -55.5 -32.0 -22.0 40.4 -31.3 4 16 A N T 3 S+ 0 0 148 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.319 78.5 124.1-106.1 6.8 -22.4 42.6 -28.2 5 17 A I < - 0 0 119 -3,-1.5 2,-0.3 1,-0.1 3,-0.1 -0.536 54.9-137.0 -73.4 128.2 -24.1 40.3 -25.8 6 18 A T - 0 0 123 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.628 28.3 -99.6 -85.8 144.3 -22.2 40.0 -22.5 7 19 A A - 0 0 96 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.282 32.9-123.1 -58.2 140.9 -21.8 36.5 -21.0 8 20 A A - 0 0 85 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.587 31.0-106.4 -76.6 148.5 -24.2 35.6 -18.2 9 21 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.515 45.0 -97.8 -66.6 143.4 -22.5 34.5 -14.9 10 22 A A - 0 0 81 -2,-0.1 6,-0.0 1,-0.1 4,-0.0 -0.236 49.1 -91.3 -58.9 151.4 -22.8 30.7 -14.4 11 23 A D > - 0 0 66 1,-0.1 4,-1.1 -3,-0.1 5,-0.2 -0.477 29.7-134.5 -66.5 134.4 -25.6 29.7 -12.1 12 24 A P T 4 S+ 0 0 69 0, 0.0 359,-0.4 0, 0.0 -1,-0.1 0.732 101.2 25.0 -65.3 -20.6 -24.4 29.6 -8.4 13 25 A I T >4 S+ 0 0 9 357,-0.1 3,-1.5 2,-0.1 4,-0.4 0.810 128.9 36.6-105.0 -61.6 -26.2 26.3 -7.9 14 26 A L T >> S+ 0 0 109 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.799 107.1 68.5 -67.8 -26.0 -26.7 24.5 -11.3 15 27 A G H 3X S+ 0 0 9 -4,-1.1 4,-1.6 1,-0.3 3,-0.4 0.737 84.7 72.1 -63.0 -23.7 -23.3 25.7 -12.5 16 28 A L H <> S+ 0 0 11 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.810 86.7 64.5 -60.3 -32.3 -21.7 23.4 -9.9 17 29 A A H <> S+ 0 0 51 -3,-1.4 4,-2.4 -4,-0.4 -1,-0.2 0.923 102.5 48.2 -59.2 -43.6 -22.7 20.4 -12.0 18 30 A D H X S+ 0 0 117 -4,-0.6 4,-2.4 -3,-0.4 -1,-0.2 0.953 114.2 44.7 -60.5 -49.7 -20.4 21.6 -14.8 19 31 A L H X S+ 0 0 79 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.854 114.5 48.9 -65.5 -34.9 -17.4 22.2 -12.4 20 32 A F H >< S+ 0 0 37 -4,-2.6 3,-0.8 2,-0.2 -1,-0.2 0.920 111.1 50.0 -72.8 -40.1 -17.9 18.9 -10.6 21 33 A R H 3< S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.928 111.1 49.4 -63.7 -44.6 -18.2 17.0 -13.9 22 34 A A H 3< S+ 0 0 76 -4,-2.4 2,-0.7 -5,-0.2 -1,-0.2 0.586 86.9 98.4 -70.7 -11.4 -15.0 18.6 -15.2 23 35 A D << - 0 0 19 -3,-0.8 5,-0.1 -4,-0.6 -4,-0.0 -0.683 55.3-169.0 -84.9 112.1 -13.0 17.8 -12.0 24 36 A E + 0 0 186 -2,-0.7 -1,-0.2 2,-0.0 -2,-0.1 0.434 46.2 117.1 -87.6 5.6 -11.1 14.6 -12.8 25 37 A R > - 0 0 93 1,-0.1 3,-0.7 2,-0.0 -2,-0.1 -0.490 60.6-141.2 -75.9 143.1 -10.0 13.9 -9.2 26 38 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.768 91.5 56.5 -80.2 -28.2 -11.3 10.6 -7.7 27 39 A G T 3 S+ 0 0 58 2,-0.1 -2,-0.0 360,-0.0 338,-0.0 0.294 74.1 142.1 -88.3 14.7 -12.2 11.6 -4.1 28 40 A K < - 0 0 69 -3,-0.7 2,-0.5 -5,-0.1 339,-0.2 -0.239 35.9-155.9 -63.4 139.6 -14.6 14.4 -5.1 29 41 A I E -a 367 0A 13 337,-2.5 339,-2.9 336,-0.1 2,-0.8 -0.968 4.7-146.4-124.1 124.9 -17.6 14.8 -2.9 30 42 A N E +a 368 0A 42 -2,-0.5 339,-0.1 337,-0.2 337,-0.1 -0.764 36.3 148.2 -97.8 104.3 -20.8 16.5 -4.2 31 43 A L + 0 0 1 337,-2.2 345,-1.9 -2,-0.8 339,-0.4 -0.106 51.3 92.8-120.7 35.3 -22.8 18.4 -1.6 32 44 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.836 65.9 44.2 -96.6 -96.3 -24.1 21.1 -4.0 33 45 A I S S- 0 0 45 -20,-0.2 2,-2.1 1,-0.1 -1,-0.1 -0.235 88.2-105.7 -58.6 149.4 -27.4 20.9 -5.8 34 46 A G S S+ 0 0 4 -3,-0.1 2,-0.3 343,-0.0 -1,-0.1 -0.407 70.2 131.1 -82.9 63.2 -30.4 19.8 -3.7 35 47 A V - 0 0 35 -2,-2.1 2,-0.3 312,-0.1 343,-0.1 -0.823 57.9-115.6-106.3 152.3 -30.9 16.2 -5.0 36 48 A Y - 0 0 22 -2,-0.3 2,-0.4 210,-0.1 343,-0.1 -0.696 28.1-166.7 -80.6 140.9 -31.3 13.3 -2.6 37 49 A K - 0 0 39 341,-1.6 6,-0.2 -2,-0.3 343,-0.1 -0.982 13.1-134.8-123.2 147.4 -28.6 10.5 -2.6 38 50 A D > - 0 0 21 4,-2.9 3,-2.2 -2,-0.4 276,-0.0 -0.106 46.5 -75.6 -84.2-172.2 -29.0 7.1 -0.9 39 51 A E T 3 S+ 0 0 109 1,-0.3 344,-0.4 2,-0.1 -1,-0.1 0.729 132.4 55.2 -63.2 -21.9 -26.5 5.4 1.2 40 52 A T T 3 S- 0 0 91 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.341 118.4-108.0 -88.4 4.2 -24.4 4.5 -1.9 41 53 A G S < S+ 0 0 27 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.694 81.5 124.5 76.7 18.2 -24.2 8.1 -3.1 42 54 A K - 0 0 138 0, 0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.697 59.2-142.1-105.9 160.1 -26.7 7.4 -5.9 43 55 A T - 0 0 56 -2,-0.2 -6,-0.1 -6,-0.2 3,-0.1 -0.791 34.2-174.3-117.5 81.3 -30.0 9.1 -6.8 44 56 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.260 33.3 -98.2 -80.0 166.1 -32.1 6.2 -8.0 45 57 A V - 0 0 67 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.666 51.0-104.7 -73.5 137.0 -35.5 6.3 -9.5 46 58 A L > - 0 0 15 202,-0.4 4,-2.3 -2,-0.3 5,-0.2 -0.306 21.4-126.1 -64.7 150.1 -38.0 5.5 -6.7 47 59 A T H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 112.0 54.2 -67.1 -37.2 -39.5 2.0 -6.8 48 60 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 108.4 51.7 -63.5 -32.7 -43.0 3.4 -6.8 49 61 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 108.4 49.3 -69.3 -44.6 -42.0 5.6 -9.8 50 62 A K H X S+ 0 0 121 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 111.9 50.0 -59.7 -39.3 -40.7 2.6 -11.7 51 63 A K H X S+ 0 0 104 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.929 111.5 46.8 -66.2 -46.2 -43.9 0.7 -11.0 52 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.873 111.4 52.7 -60.2 -38.7 -46.0 3.6 -12.1 53 65 A E H X S+ 0 0 42 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.887 107.5 51.1 -68.4 -35.7 -43.9 3.9 -15.3 54 66 A Q H X S+ 0 0 116 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.901 110.7 49.4 -66.1 -38.4 -44.3 0.3 -16.1 55 67 A Y H X S+ 0 0 123 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 111.2 49.0 -66.1 -42.0 -48.1 0.7 -15.7 56 68 A L H X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.880 108.9 53.2 -64.2 -40.9 -48.0 3.8 -18.0 57 69 A L H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.8 42.0 -61.8 -39.3 -46.0 1.9 -20.6 58 70 A E H < S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.794 126.7 29.4 -75.2 -30.2 -48.6 -0.9 -20.6 59 71 A N H < S+ 0 0 81 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.638 85.7 102.3-115.1 -21.3 -51.7 1.3 -20.5 60 72 A E < + 0 0 61 -4,-2.8 3,-0.1 -5,-0.2 -4,-0.0 -0.519 36.6 175.8 -66.4 134.5 -51.1 4.6 -22.2 61 73 A T + 0 0 140 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.328 60.9 26.0-123.3 7.4 -52.6 4.6 -25.7 62 74 A T - 0 0 96 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.984 46.1-154.0-158.9 154.1 -51.9 8.2 -26.8 63 75 A K + 0 0 159 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.088 46.9 152.4-108.5 20.5 -49.6 11.2 -26.2 64 76 A N - 0 0 121 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.138 57.4 -80.5 -51.3 143.7 -52.4 13.7 -27.3 65 77 A Y - 0 0 181 1,-0.1 -1,-0.1 222,-0.0 2,-0.1 -0.110 41.2-132.0 -48.1 139.5 -52.0 17.1 -25.6 66 78 A L - 0 0 46 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.371 39.3 -84.1 -76.0 165.6 -53.2 17.6 -22.1 67 79 A G > - 0 0 41 3,-0.4 3,-2.1 1,-0.1 -1,-0.2 -0.265 48.5 -98.0 -58.2 162.1 -55.3 20.6 -21.3 68 80 A I T 3 S+ 0 0 49 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.871 128.4 46.8 -54.1 -34.9 -53.4 23.9 -20.6 69 81 A D T 3 S- 0 0 40 1,-0.3 30,-2.4 29,-0.1 -1,-0.3 0.362 110.4-134.1 -93.2 3.9 -53.7 23.1 -16.9 70 82 A G < + 0 0 5 -3,-2.1 -3,-0.4 28,-0.2 -1,-0.3 -0.356 55.1 2.3 88.4-158.1 -52.7 19.5 -17.2 71 83 A I > - 0 0 30 1,-0.2 4,-1.8 -5,-0.1 3,-0.3 -0.551 56.5-147.5 -78.9 122.7 -54.1 16.2 -15.8 72 84 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 98.6 52.0 -56.7 -44.8 -57.3 16.8 -13.7 73 85 A E H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 106.9 55.6 -61.2 -33.7 -56.6 13.9 -11.3 74 86 A F H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.918 107.5 48.6 -62.4 -47.2 -53.1 15.5 -10.7 75 87 A G H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.920 111.9 48.8 -58.1 -44.4 -54.7 18.8 -9.7 76 88 A R H X S+ 0 0 144 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.931 112.3 47.6 -67.6 -40.8 -57.1 17.2 -7.3 77 89 A C H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 111.4 52.4 -65.4 -39.3 -54.4 15.1 -5.6 78 90 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.939 108.1 49.2 -60.8 -48.0 -52.2 18.2 -5.3 79 91 A Q H X>S+ 0 0 25 -4,-2.5 4,-3.1 1,-0.2 5,-0.6 0.890 110.0 52.8 -60.8 -39.3 -55.0 20.2 -3.6 80 92 A E H X5S+ 0 0 74 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.937 110.0 47.7 -62.5 -43.5 -55.6 17.4 -1.2 81 93 A L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.902 118.5 41.6 -59.0 -42.9 -51.9 17.3 -0.3 82 94 A L H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.944 131.2 18.9 -71.3 -46.1 -51.8 21.0 0.2 83 95 A F H <5S- 0 0 10 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.600 106.8-111.0-109.0 -15.7 -55.0 21.7 2.0 84 96 A G ><< - 0 0 6 -4,-1.9 3,-2.0 -5,-0.6 6,-0.2 0.202 40.3 -66.4 94.8 143.3 -56.1 18.4 3.5 85 97 A K T 3 S+ 0 0 172 1,-0.3 -5,-0.0 -5,-0.1 -4,-0.0 -0.432 126.0 22.8 -60.9 133.1 -58.9 16.0 2.6 86 98 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.530 86.1 160.5 84.2 5.9 -62.2 17.7 3.5 87 99 A S <> - 0 0 21 -3,-2.0 4,-2.3 1,-0.1 3,-0.5 -0.321 46.4-131.6 -58.7 144.1 -60.7 21.2 3.3 88 100 A A H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 6,-0.2 0.789 106.8 63.2 -66.7 -27.4 -63.3 24.0 2.9 89 101 A L H 4>S+ 0 0 8 2,-0.2 5,-2.5 1,-0.2 6,-0.6 0.834 109.3 40.2 -64.5 -34.3 -61.2 25.4 0.1 90 102 A I H >45S+ 0 0 51 -3,-0.5 3,-1.3 3,-0.2 -2,-0.2 0.913 115.0 49.6 -81.3 -47.1 -61.8 22.2 -1.8 91 103 A N H 3<5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.885 114.1 46.9 -58.0 -38.2 -65.4 21.8 -0.8 92 104 A D T 3<5S- 0 0 93 -4,-2.8 173,-0.3 -5,-0.1 -1,-0.3 0.435 108.6-125.7 -86.9 1.9 -66.2 25.4 -1.8 93 105 A K T < 5 + 0 0 145 -3,-1.3 -3,-0.2 -5,-0.1 175,-0.1 0.906 63.6 141.5 57.7 41.9 -64.3 25.0 -5.1 94 106 A R < + 0 0 35 -5,-2.5 168,-2.2 -6,-0.2 2,-0.4 0.482 49.3 69.6 -93.0 -3.6 -62.1 28.0 -4.3 95 107 A A E -B 261 0B 7 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.936 53.4-172.9-123.4 135.2 -58.8 26.6 -5.7 96 108 A R E -B 260 0B 71 164,-2.3 164,-3.1 -2,-0.4 2,-0.4 -0.990 12.7-158.6-121.3 139.7 -57.7 25.9 -9.3 97 109 A T E -B 259 0B 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.951 7.4-162.2-121.9 131.2 -54.4 24.1 -10.0 98 110 A A E -B 258 0B 0 160,-2.7 160,-2.6 -2,-0.4 2,-0.2 -0.964 23.1-130.5-103.4 129.8 -52.3 24.1 -13.1 99 111 A Q E -B 257 0B 1 -30,-2.4 158,-0.3 -2,-0.5 156,-0.1 -0.585 37.9-174.2 -66.9 136.4 -49.8 21.3 -13.5 100 112 A T E -B 256 0B 0 156,-2.4 156,-2.2 -2,-0.2 2,-1.9 -0.858 38.2 -89.0-132.7 165.7 -46.5 23.1 -14.4 101 113 A P S > S- 0 0 32 0, 0.0 4,-1.1 0, 0.0 154,-0.3 -0.546 94.1 -45.3 -75.3 87.1 -42.9 22.1 -15.5 102 114 A G H > S- 0 0 0 -2,-1.9 4,-1.5 152,-0.5 154,-0.4 -0.067 78.5 -68.6 79.9 168.7 -41.5 21.9 -12.0 103 115 A G H > S+ 0 0 7 152,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.803 134.7 57.3 -60.5 -38.7 -41.8 24.2 -9.0 104 116 A T H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 105.5 49.4 -60.8 -48.3 -39.7 26.8 -10.9 105 117 A G H X S+ 0 0 12 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.886 109.2 52.1 -55.7 -40.8 -42.3 26.7 -13.7 106 118 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.890 109.0 50.2 -66.6 -36.4 -45.1 27.2 -11.1 107 119 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.906 112.4 47.3 -68.4 -34.5 -43.3 30.3 -9.7 108 120 A R H X S+ 0 0 87 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.890 111.7 50.1 -75.1 -41.6 -42.8 31.7 -13.2 109 121 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.917 112.0 48.2 -58.6 -45.3 -46.5 31.1 -14.1 110 122 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.932 113.2 48.7 -58.7 -47.7 -47.6 32.8 -10.8 111 123 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.923 113.1 44.7 -64.2 -43.7 -45.3 35.7 -11.5 112 124 A D H X S+ 0 0 38 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.896 113.9 51.5 -66.8 -36.9 -46.4 36.3 -15.1 113 125 A F H X S+ 0 0 13 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.948 114.3 43.3 -62.9 -47.7 -50.1 35.9 -14.0 114 126 A L H X S+ 0 0 4 -4,-2.9 4,-1.8 -5,-0.2 6,-0.4 0.908 114.3 49.1 -62.6 -47.2 -49.6 38.5 -11.2 115 127 A A H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.908 118.8 38.3 -61.6 -40.1 -47.6 40.9 -13.4 116 128 A K H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.675 127.2 30.2 -89.4 -17.3 -50.1 40.8 -16.2 117 129 A N H < S+ 0 0 64 -4,-1.6 2,-0.2 -5,-0.2 -2,-0.2 0.479 113.2 43.1-126.8 -3.1 -53.4 40.7 -14.3 118 130 A T S < S- 0 0 59 -4,-1.8 0, 0.0 -5,-0.2 0, 0.0 -0.791 82.1-104.6-134.6 176.8 -53.0 42.5 -11.0 119 131 A S S S+ 0 0 95 -2,-0.2 2,-0.1 -3,-0.0 -4,-0.1 0.336 71.0 136.9 -82.0 7.0 -51.5 45.7 -9.5 120 132 A V + 0 0 12 -6,-0.4 -2,-0.2 1,-0.2 53,-0.1 -0.336 14.6 155.8 -60.7 129.1 -48.6 43.7 -8.1 121 133 A K + 0 0 122 1,-0.3 22,-2.9 51,-0.2 2,-0.4 0.579 58.7 42.6-120.7 -19.3 -45.2 45.3 -8.5 122 134 A R E -c 143 0B 52 20,-0.2 52,-2.2 50,-0.2 2,-0.4 -0.976 54.2-161.6-139.7 139.5 -43.1 43.9 -5.7 123 135 A V E -cd 144 174B 0 20,-2.5 22,-2.1 -2,-0.4 2,-0.5 -0.992 17.5-140.8-120.2 133.3 -42.5 40.5 -4.1 124 136 A W E -cd 145 175B 8 50,-3.0 52,-3.1 -2,-0.4 2,-0.3 -0.826 22.8-177.6 -95.5 126.1 -40.9 40.2 -0.7 125 137 A V E -c 146 0B 7 20,-2.6 22,-1.8 -2,-0.5 52,-0.1 -0.915 29.9-102.9-123.0 147.3 -38.4 37.3 -0.3 126 138 A S E -c 147 0B 1 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.328 40.1-103.7 -68.0 145.2 -36.5 36.2 2.8 127 139 A N E S+c 148 0B 83 20,-2.6 23,-0.8 1,-0.1 22,-0.6 -0.968 111.1 31.3-104.4 115.0 -32.8 37.1 3.2 128 140 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.598 89.5 139.0 -85.2 166.9 -31.4 34.5 2.6 129 141 A S - 0 0 21 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.857 62.5 -56.6-147.9-172.5 -33.4 32.5 0.1 130 142 A W > - 0 0 55 53,-0.3 3,-1.6 -2,-0.3 4,-0.5 -0.570 51.2-133.0 -69.0 129.8 -32.9 30.4 -3.0 131 143 A P T 3> S+ 0 0 63 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.735 99.8 64.3 -63.3 -24.0 -31.1 32.6 -5.5 132 144 A N H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.664 83.4 77.3 -77.2 -7.2 -33.4 31.8 -8.4 133 145 A H H <> S+ 0 0 2 -3,-1.6 4,-2.5 1,-0.2 5,-0.3 0.972 95.9 47.4 -61.4 -49.4 -36.4 33.4 -6.7 134 146 A K H > S+ 0 0 113 -4,-0.5 4,-2.6 -3,-0.4 5,-0.2 0.915 111.7 51.0 -59.6 -40.7 -35.1 36.8 -7.6 135 147 A S H X S+ 0 0 67 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.913 109.8 48.7 -63.3 -47.4 -34.4 35.8 -11.2 136 148 A V H X S+ 0 0 9 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.956 115.0 42.8 -58.3 -50.1 -37.9 34.3 -11.7 137 149 A F H ><>S+ 0 0 1 -4,-2.5 5,-2.2 -5,-0.2 3,-0.6 0.922 114.0 50.7 -68.5 -40.6 -39.7 37.3 -10.4 138 150 A N H ><5S+ 0 0 66 -4,-2.6 3,-1.7 -5,-0.3 -1,-0.2 0.857 103.0 61.4 -61.7 -32.5 -37.5 39.9 -12.1 139 151 A S H 3<5S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 104.2 49.2 -66.4 -27.2 -38.0 38.0 -15.4 140 152 A A T <<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.415 126.7-102.9 -86.8 -1.2 -41.7 38.7 -15.1 141 153 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.581 77.6 135.0 92.4 8.3 -41.0 42.4 -14.4 142 154 A L < - 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0 0 7 -2,-0.3 4,-1.3 -341,-0.1 3,-0.2 -0.921 45.4-102.9-141.9 163.0 -23.0 9.0 3.4 382 394 A P H > S+ 0 0 78 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.872 121.5 50.2 -57.5 -34.0 -21.2 6.8 5.9 383 395 A D H 4 S+ 0 0 144 -344,-0.4 3,-0.2 1,-0.2 -343,-0.1 0.814 116.2 37.2 -75.3 -35.5 -18.4 6.3 3.4 384 396 A N H > S+ 0 0 31 -3,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.539 96.3 87.4 -93.7 0.3 -17.8 9.9 2.4 385 397 A M H X S+ 0 0 3 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.885 84.5 50.2 -69.3 -41.4 -18.4 11.3 5.9 386 398 A A H X S+ 0 0 39 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.966 114.8 41.7 -63.9 -52.9 -14.9 11.0 7.3 387 399 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.870 114.0 54.0 -61.7 -37.4 -13.1 12.7 4.4 388 400 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.949 111.8 43.2 -63.1 -46.3 -15.7 15.4 4.1 389 401 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.838 109.8 56.4 -71.8 -32.3 -15.4 16.3 7.8 390 402 A E H X S+ 0 0 96 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.917 109.7 47.3 -62.5 -39.4 -11.6 16.2 7.7 391 403 A A H X S+ 0 0 4 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.932 112.1 48.7 -66.3 -47.0 -11.7 18.7 4.8 392 404 A I H >X S+ 0 0 6 -4,-2.3 4,-1.3 1,-0.2 3,-1.0 0.952 111.2 49.9 -62.1 -44.6 -14.2 21.0 6.6 393 405 A V H >< S+ 0 0 34 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.921 106.9 56.6 -59.1 -39.8 -12.1 20.9 9.8 394 406 A A H 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.741 109.5 45.3 -62.9 -24.3 -9.0 21.7 7.7 395 407 A V H << 0 0 9 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.640 360.0 360.0 -97.6 -11.6 -10.7 24.9 6.4 396 408 A L << 0 0 87 -4,-1.3 -43,-0.0 -3,-0.6 -3,-0.0 -0.160 360.0 360.0 -65.0 360.0 -12.0 26.2 9.7